(Z)-1-(1,3-benzodioxol-5-yl)-3-(phenacylamino)prop-2-en-1-one

Formula:C18H15NO4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-1-(1,3-benzodioxol-5-yl)-3-(phenacylamino)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(1,3-benzodioxol-5-yl)-3-(phenacylamino)prop-2-en-1-one
MolecularFormula	C18H15NO4
Smiles	O=C(CN/C=C\C(c(cc1)cc2c1OCO2)=O)c1ccccc1
InChI	InChI=1S/C18H15NO4/c20-15(14-6-7-17-18(10-14)23-12-22-17)8-9-19-11-16(21)13-4-2-1-3-5-13/h1-10,19H,11-12H2
InChIK	WXDSJLQXUWSRAP-UHFFFAOYSA-N
TotalMolweight	309.32
Molweight	309.32
MonoisotopicMass	309.100109
CLogP	1.8371
CLogS	-4.606
H Acceptors	5
H Donors	1
TotalSurfaceArea	240.5
Relative PSA	0.23925
PolarSurfaceArea	64.63
Druglikeness	1.5293
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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